Vallesamine
AlkaPlorer ID: AK318367
Synonym: None
IUPAC Name: methyl (12R,13R,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@H]1[C@@](CO)(C(=O)OC)C1=C(C2)C2=CC=CC=C2N1
InChI: InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m1/s1
InChIKey: JZKSIYFJGCTTET-WPVWGPSVSA-N
Reference
Studies on Natural Products from Cuban Plants. Alkaloids from <i>Tabernaemontana citrifolia</i>
PubChem CID: 124356004
LOTUS: LTS0089389
NPASS: NPC109102
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holacantha emoryi | Holacantha | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dorstenia zenkeri | Dorstenia | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.423
TPSA？: 65.56
MolLogP？: 2.3528
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|